4-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-1H-imidazole-5-carboxylic acid

Systemtic Name: 4-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-1H-imidazole-5-carboxylic acid Openeye Name: 4-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-1H-imidazole-5-carboxylic acid CAS Name: 4-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-1H-imidazole-5-carboxylic acid IUPAC Name: 4-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-1H-imidazole-5-carboxylic acid Traditional Name: 4-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]-1H-imidazole-5-carboxylic acid Formula: C13H10N6O6 MolecularWeight: 346.2551

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNC3=C(NC=N3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNC3=C(NC=N3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H10N6O6/c20-11-12(21)18-8-5(1-6(19(24)25)2-7(8)17-11)3-14-10-9(13(22)23)15-4-16-10/h1-2,4,14H,3H2,(H,15,16)(H,17,20)(H,18,21)(H,22,23)